SCHEMBL11325883

SCHEMBL11325883

CC(=O)/C(=N/OC(=O)Cl)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.52
CES1 P23141 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11325890 1.00 CES2 (0.52) CES2CES1SMN1; SMN2MAPK1TDP1
SCHEMBL8768841 0.80 MAPT (0.57) SMN1; SMN2MAPK1TDP1MAPTPKM
SCHEMBL11324498 0.78 CES2 (0.46) CES2CES1SMN1; SMN2TDP1MAPT
SCHEMBL11324501 0.78 CES2 (0.46) CES2CES1SMN1; SMN2TDP1MAPT
SCHEMBL1370084 0.76 CES2 (0.61) CES2CES1SMN1; SMN2MAPTLMNA
SCHEMBL1372210 0.76 CES2 (0.61) CES2CES1SMN1; SMN2MAPTLMNA
SCHEMBL11416768 0.76 CES2 (0.61) CES2CES1SMN1; SMN2MAPTLMNA
SCHEMBL11333722 0.76 ALDH1A1 (0.50) SMN1; SMN2MAPK1TDP1MAPTPKM
SCHEMBL16279024 0.74 ALDH1A1 (0.51) CES2CES1SMN1; SMN2MAPK1MAPT
SCHEMBL91995 0.74 ALDH1A1 (0.51) CES2CES1SMN1; SMN2MAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30752-E CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 US disclosed
US-4010178-A Carbonic acid esters, and the preparation thereof and their use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-03-01 US disclosed